3-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophene-1-carbonitrile

Systemtic Name: 3-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 3-[[4-[3-(aminomethyl)phenyl]-1-piperidinyl]-oxomethyl]-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-7-keto-5,5-dimethyl-4,6-dihydroisobenzothiophene-1-carbonitrile Formula: C24H27N3O2S MolecularWeight: 421.55508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)C#N)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)C#N)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)C

InChI

InChI=1S/C24H27N3O2S/c1-24(2)11-18-21(19(28)12-24)20(14-26)30-22(18)23(29)27-8-6-16(7-9-27)17-5-3-4-15(10-17)13-25/h3-5,10,16H,6-9,11-13,25H2,1-2H3